2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol

C11H18BrNO2 — CID 115927326

IUPAC2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NC(C)c1occc1Br
InChIInChI=1S/C11H18BrNO2/c1-4-11(3,7-14)13-8(2)10-9(12)5-6-15-10/h5-6,8,13-14H,4,7H2,1-3H3
InChIKeyZHKLKHBXQUZXCQ-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol

2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol (PubChem CID 115927326) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
PubChem CID115927326
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NC(C)c1occc1Br
InChIInChI=1S/C11H18BrNO2/c1-4-11(3,7-14)13-8(2)10-9(12)5-6-15-10/h5-6,8,13-14H,4,7H2,1-3H3
InChIKeyZHKLKHBXQUZXCQ-UHFFFAOYSA-N
XLogP2.85
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-bromofuran-2-yl)ethylamino]-2-ethylpropane-1,3-diol
CID 115927552
2-methyl-2-[1-(3-methylfuran-2-yl)ethylamino]pentan-1-ol
CID 115920447
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
N-[1-(3-bromofuran-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 115705879
1-(3-bromofuran-2-yl)-2-ethylbutane-1,2-diol
CID 103449389
1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752637
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
[1-[1-(3-bromofuran-2-yl)ethylamino]cyclobutyl]methanol
CID 115927959
2-(aminomethyl)-1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 106889659
1-(3-bromofuran-2-yl)-N-ethyl-N-methylethanamine
CID 130621385
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79055906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol (CID 115927326) is 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol is CCC(C)(CO)NC(C)c1occc1Br.
What is the InChIKey of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol?
The InChIKey is ZHKLKHBXQUZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-4-11(3,7-14)13-8(2)10-9(12)5-6-15-10/h5-6,8,13-14H,4,7H2,1-3H3.
What are the key properties of 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol?
2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol has a molecular weight of 276.17 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromofuran-2-yl)ethylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 115927326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).